General Information of the Compound
| Compound ID |
CP0047782
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| Compound Name |
US9180192, 16
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| Structure |
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| Formula |
C16H11F3N4O3S
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| Molecular Weight |
396.35
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
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| InChI |
InChI=1S/C16H11F3N4O3S/c17-16(18,19)11-4-6-13(7-5-11)27(25,26)23-10-12(9-21-23)22-15(24)14-3-1-2-8-20-14/h1-10H,(H,22,24)
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| InChIKey |
ITSUXYXWKUMHLN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound